CID 6445765

Benzofuran, 4,7-dimethoxy-5-(2-hydroxycinnamoyl)-6-(2-pyrrolidinylethoxy)-, oxalate

Structural Information

Molecular Formula
C25H27NO6
SMILES
COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCC3)C(=O)/C=C/C4=CC=CC=C4O
InChI
InChI=1S/C25H27NO6/c1-29-22-18-11-15-31-23(18)25(30-2)24(32-16-14-26-12-5-6-13-26)21(22)20(28)10-9-17-7-3-4-8-19(17)27/h3-4,7-11,15,27H,5-6,12-14,16H2,1-2H3/b10-9+
InChIKey
YKQDETHLUCAHAA-MDZDMXLPSA-N
Compound name
(E)-1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-5-yl]-3-(2-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.18384 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.19112 204.4
[M+Na]+ 460.17306 210.7
[M-H]- 436.17656 213.6
[M+NH4]+ 455.21766 214.7
[M+K]+ 476.14700 207.5
[M+H-H2O]+ 420.18110 196.1
[M+HCOO]- 482.18204 222.7
[M+CH3COO]- 496.19769 226.2
[M+Na-2H]- 458.15851 201.4
[M]+ 437.18329 211.1
[M]- 437.18439 211.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.